Wednesday, December 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(2,4-dichlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-[(1S,3R)-3-[3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H25Cl3N4
MOLECULAR WEIGHT: 475.8411
SMILES: C1C[C@H](C[C@H]1N2CCN(CC2)C3=CC=CC=C3Cl)N4C=CC(=N4)C5=C(C=C(C=C5)Cl)Cl
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Product OPENEYE NAME: 6-chloro-N-(3-hydroxyindan-5-yl)imidazo[2,1-b]thiazole-5-sulfonamide
CAS Name: 6-chloro-N-(3-hydroxy-2,3-dihydro-1H-inden-5-yl)-5-imidazo[2,1-b]thiazolesulfonamide
IUPAC NAME: 6-chloro-N-(3-hydroxy-2,3-dihydro-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N-(3-oxidanyl-2,3-dihydro-1H-inden-5-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
MOLECULAR FORMULA: C14H12ClN3O3S2
MOLECULAR WEIGHT: 369.84638
SMILES: C1CC2=C(C1O)C=C(C=C2)NS(=O)(=O)C3=C(N=C4N3C=CS4)Cl
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Product OPENEYE NAME: tert-butyl 6-[(6-chloroimidazo[2,1-b]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
CAS Name: 6-[(6-chloro-5-imidazo[2,1-b]thiazolyl)sulfonylamino]-1-indazolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 6-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 6-[(6-chloranylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
MOLECULAR FORMULA: C17H16ClN5O4S2
MOLECULAR WEIGHT: 453.92304
SMILES: CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)NS(=O)(=O)C3=C(N=C4N3C=CS4)Cl)C=N1
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Product OPENEYE NAME: tert-butyl 5-[(6-chloroimidazo[2,1-b]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
CAS Name: 5-[(6-chloro-5-imidazo[2,1-b]thiazolyl)sulfonylamino]-1-indazolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 5-[(6-chloranylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
MOLECULAR FORMULA: C17H16ClN5O4S2
MOLECULAR WEIGHT: 453.92304
SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(N=C4N3C=CS4)Cl)C=N1
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Product OPENEYE NAME: tert-butyl 6-[(6-bromoimidazo[2,1-b]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
CAS Name: 6-[(6-bromo-5-imidazo[2,1-b]thiazolyl)sulfonylamino]-1-indazolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 6-[(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 6-[(6-bromanylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
MOLECULAR FORMULA: C17H16BrN5O4S2
MOLECULAR WEIGHT: 498.37404
SMILES: CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)NS(=O)(=O)C3=C(N=C4N3C=CS4)Br)C=N1
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Product OPENEYE NAME: tert-butyl 5-[(6-bromoimidazo[2,1-b]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
CAS Name: 5-[(6-bromo-5-imidazo[2,1-b]thiazolyl)sulfonylamino]-1-indazolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-[(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 5-[(6-bromanylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]indazole-1-carboxylate
MOLECULAR FORMULA: C17H16BrN5O4S2
MOLECULAR WEIGHT: 498.37404
SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(N=C4N3C=CS4)Br)C=N1
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Product OPENEYE NAME: gallium tributyl 2-hydroxypropane-1,2,3-tricarboxylate
CAS Name: gallium 2-hydroxypropane-1,2,3-tricarboxylic acid tributyl ester
IUPAC NAME: gallium tributyl 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: gallium tributyl 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C18H32GaO7+3
MOLECULAR WEIGHT: 430.16548
SMILES: CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O.[Ga+3]
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Product OPENEYE NAME: 2-cyano-N-[(E)-(1-hydroxy-4-oxido-6-tritio-quinoxalin-4-ium-2-ylidene)methyl]imino-acetamide
CAS Name: 2-cyano-N-[(E)-(1-hydroxy-4-oxido-6-tritio-2-quinoxalin-4-iumylidene)methyl]iminoacetamide
IUPAC NAME: 2-cyano-N-[(E)-(1-hydroxy-4-oxido-6-tritioquinoxalin-4-ium-2-ylidene)methyl]iminoacetamide
SYSTEMATIC NAME: 2-cyano-N-[(E)-(4-oxidanidyl-1-oxidanyl-6-tritio-quinoxalin-4-ium-2-ylidene)methyl]imino-ethanamide
MOLECULAR FORMULA: C12H9N5O3
MOLECULAR WEIGHT: 273.239669
SMILES: [3H]C1=CC=C2C(=C1)[N+](=C/C(=C\N=NC(=O)CC#N)/N2O)[O-]
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Product OPENEYE NAME: 2-cyano-N-[(E)-(6-deuterio-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)methyl]imino-acetamide
CAS Name: 2-cyano-N-[(E)-(6-deuterio-1-hydroxy-4-oxido-2-quinoxalin-4-iumylidene)methyl]iminoacetamide
IUPAC NAME: 2-cyano-N-[(E)-(6-deuterio-1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminoacetamide
SYSTEMATIC NAME: 2-cyano-N-[(E)-(6-deuterio-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)methyl]imino-ethanamide
MOLECULAR FORMULA: C12H9N5O3
MOLECULAR WEIGHT: 272.237722
SMILES: [2H]C1=CC=C2C(=C1)[N+](=C/C(=C\N=NC(=O)CC#N)/N2O)[O-]
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Product OPENEYE NAME: methyl 3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]-2-(2-aminopropanoylamino)propanoate
CAS Name: 2-[(2-amino-1-oxopropyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]propanoic acid methyl ester
IUPAC NAME: methyl 3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]-2-(2-aminopropanoylamino)propanoate
SYSTEMATIC NAME: methyl 3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]-2-(2-azanylpropanoylamino)propanoate
MOLECULAR FORMULA: C15H24N5O8P
MOLECULAR WEIGHT: 433.353521
SMILES: CC(C(=O)NC(COP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N)C(=O)OC)N
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Product OPENEYE NAME: methyl 2-[(2-amino-4-methyl-pentanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]propanoic acid methyl ester
IUPAC NAME: methyl 2-[(2-amino-4-methylpentanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
SYSTEMATIC NAME: methyl 2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
MOLECULAR FORMULA: C18H30N5O8P
MOLECULAR WEIGHT: 475.433261
SMILES: CC(C)CC(C(=O)NC(COP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N)C(=O)OC)N
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Product OPENEYE NAME: methyl 3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]-2-[(2-amino-3-phenyl-propanoyl)amino]propanoate
CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]propanoic acid methyl ester
IUPAC NAME: methyl 3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]-2-[(2-amino-3-phenylpropanoyl)amino]propanoate
SYSTEMATIC NAME: methyl 3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]-2-[(2-azanyl-3-phenyl-propanoyl)amino]propanoate
MOLECULAR FORMULA: C21H28N5O8P
MOLECULAR WEIGHT: 509.449481
SMILES: COC(=O)C(COP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N)NC(=O)C(CC3=CC=CC=C3)N
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Product OPENEYE NAME: ethyl 2-[(2-amino-3-methyl-butanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
CAS Name: 2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-[[(5S)-5-[(4-amino-2-oxo-1-pyrimidinyl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-2-yl]oxy]propanoic acid ethyl ester
IUPAC NAME: ethyl 2-[(2-amino-3-methylbutanoyl)amino]-3-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
SYSTEMATIC NAME: ethyl 2-[(2-azanyl-3-methyl-butanoyl)amino]-3-[[(5S)-5-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-2-yl]oxy]propanoate
MOLECULAR FORMULA: C18H30N5O8P
MOLECULAR WEIGHT: 475.433261
SMILES: CCOC(=O)C(COP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N)NC(=O)C(C(C)C)N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H37BrF3N5O6S2
MOLECULAR WEIGHT: 824.72739
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC=CC(=C4)C(F)(F)F)OC5=NC6=C(S5)C=C(C=C6)Br)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H40F3N5O7S2
MOLECULAR WEIGHT: 775.85731
SMILES: COC1=CC2=C(C=C1)N=C(S2)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC6=CC=CC(=C6)C(F)(F)F)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H37F4N5O6S2
MOLECULAR WEIGHT: 763.821793
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC=CC(=C4)C(F)(F)F)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME: N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(2-bromophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C21H15BrFN3O
MOLECULAR WEIGHT: 424.265703
SMILES: C1=CC=C(C(=C1)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F)Br
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